2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-methoxyphenyl)pyridine-4-carboxamide

C21H19N3O4 — CID 46283333

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccnc(Nc3ccc4c(c3)OCCO4)c2)cc1
InChIInChI=1S/C21H19N3O4/c1-26-17-5-2-15(3-6-17)24-21(25)14-8-9-22-20(12-14)23-16-4-7-18-19(13-16)28-11-10-27-18/h2-9,12-13H,10-11H2,1H3,(H,22,23)(H,24,25)
InChIKeyVHYUHXMAZXJPNJ-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.86
Rot. Bonds5

About 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-methoxyphenyl)pyridine-4-carboxamide

2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-methoxyphenyl)pyridine-4-carboxamide (PubChem CID 46283333) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-methoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
PubChem CID46283333
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccnc(Nc3ccc4c(c3)OCCO4)c2)cc1
InChIInChI=1S/C21H19N3O4/c1-26-17-5-2-15(3-6-17)24-21(25)14-8-9-22-20(12-14)23-16-4-7-18-19(13-16)28-11-10-27-18/h2-9,12-13H,10-11H2,1H3,(H,22,23)(H,24,25)
InChIKeyVHYUHXMAZXJPNJ-UHFFFAOYSA-N
XLogP3.86
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-difluoroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide
CID 109178842
2-(3,4-dichloroanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 109178053
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethylanilino)pyridine-4-carboxamide
CID 109176917
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2,5-dimethylphenyl)pyridine-4-carboxamide
CID 109176631
2-(3-acetamidoanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 109178041
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109199892
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167122
2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 109171474
2-(1,3-benzodioxol-5-ylamino)-N-(3,5-dimethylphenyl)pyridine-4-carboxamide
CID 109176718
2-(3-chloro-4-fluoroanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 46283339
2-(3-ethylanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 46283332
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091385

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-methoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-methoxyphenyl)pyridine-4-carboxamide (CID 46283333) is 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-methoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-methoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-methoxyphenyl)pyridine-4-carboxamide is COc1ccc(NC(=O)c2ccnc(Nc3ccc4c(c3)OCCO4)c2)cc1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-methoxyphenyl)pyridine-4-carboxamide?
The InChIKey is VHYUHXMAZXJPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-26-17-5-2-15(3-6-17)24-21(25)14-8-9-22-20(12-14)23-16-4-7-18-19(13-16)28-11-10-27-18/h2-9,12-13H,10-11H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-methoxyphenyl)pyridine-4-carboxamide?
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-methoxyphenyl)pyridine-4-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-methoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 46283333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).